3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C19H25N3O2 — CID 167936876

IUPAC3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC1NCCC1c1nc(-c2ccc(OC3CCCCC3)cc2)no1
InChIInChI=1S/C19H25N3O2/c1-13-17(11-12-20-13)19-21-18(22-24-19)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h7-10,13,15,17,20H,2-6,11-12H2,1H3
InChIKeyUNWFWKAVJOYGHQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.91
Rot. Bonds4

About 3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 167936876) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID167936876
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC1NCCC1c1nc(-c2ccc(OC3CCCCC3)cc2)no1
InChIInChI=1S/C19H25N3O2/c1-13-17(11-12-20-13)19-21-18(22-24-19)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h7-10,13,15,17,20H,2-6,11-12H2,1H3
InChIKeyUNWFWKAVJOYGHQ-UHFFFAOYSA-N
XLogP3.91
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 167936876) is 3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is CC1NCCC1c1nc(-c2ccc(OC3CCCCC3)cc2)no1.
What is the InChIKey of 3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is UNWFWKAVJOYGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-17(11-12-20-13)19-21-18(22-24-19)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h7-10,13,15,17,20H,2-6,11-12H2,1H3.
What are the key properties of 3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 327.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167936876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).